Polymyxin-P1
AlkaPlorer ID: AK001404
Synonym: None
IUPAC Name: (6S)-N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Structure
SMILES: CC[C@H](C)CCCCC(O)=NC(CCN)C(O)=NC(C(O)=NC(CCN)C(O)=NC1CCN=C(O)C(C(C)O)N=C(O)C(CCN)N=C(O)C(CCN)N=C(O)C(C(C)O)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CCN)N=C1O)C(C)O
InChI: InChI=1S/C54H94N16O14/c1-6-29(2)12-10-11-15-41(74)61-34(16-22-55)49(79)69-43(31(4)72)53(83)66-37(19-25-58)46(76)64-39-21-27-60-52(82)42(30(3)71)68-50(80)38(20-26-59)63-45(75)36(18-24-57)65-54(84)44(32(5)73)70-51(81)40(28-33-13-8-7-9-14-33)67-47(77)35(17-23-56)62-48(39)78/h7-9,13-14,29-32,34-40,42-44,71-73H,6,10-12,15-28,55-59H2,1-5H3,(H,60,82)(H,61,74)(H,62,78)(H,63,75)(H,64,76)(H,65,84)(H,66,83)(H,67,77)(H,68,80)(H,69,79)(H,70,81)/t29-,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?/m0/s1
InChIKey: YKYJELXCEPRFPA-ZIEZDPLUSA-N
Reference
POLYMYXIN P, NEW ANTIBIOTICS OF POLYMYXIN GROUP
PubChem CID: 139585902
LOTUS: LTS0043798
{NPAtlas: NPA010156
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polymyxa | Plasmodiophoridae | Plasmodiophorida | Phytomyxea | Endomyxa | None | Eukaryota |
Properties Information
Molecule Weight: 1191.4440000000002
TPSA？: 549.2800000000001
MolLogP？: 2.333199999999988
Number of H-Donors: 19
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|